SCHEMBL5585283

SCHEMBL5585283

CCOC(=O)c1ccc(N(C)c2nc(-c3ccc(NCc4ccc(C5CCCCC5)cc4)cc3)cs2)cc1

nearest known ligand 0.51

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MAPT P10636 5/20 0.51
ALDH1A1 P00352 3/20 0.51
NPC1 O15118 3/20 0.51
RAB9A P51151 3/20 0.51
L3MBTL1 Q9Y468 1/20 0.51
ENPP2 Q13822 6/20 0.40
ALOX15 P16050 2/20 0.40
MEN1 O00255 1/20 0.40
USP2 O75604 1/20 0.40
LMNA P02545 1/20 0.40
KMT2A Q03164 1/20 0.40
HSD17B10 Q99714 1/20 0.40
SMN1; SMN2 Q16637 2/20 0.37
STAT3 P40763 1/20 0.37
PTGS2 P35354 1/20 0.37
MRE11 P49959 1/20 0.37
TRPA1 O75762 1/20 0.36

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL5585653 0.90 RAB9A (0.41) MAPTALDH1A1NPC1RAB9AENPP2
SCHEMBL5585473 0.89 GHSR (0.38) MAPTALDH1A1NPC1RAB9AL3MBTL1
Hydrochloric Acid SCHEMBL5585772 0.89 RAB9A (0.40) MAPTALDH1A1NPC1RAB9AENPP2
SCHEMBL5585688 0.89 RAB9A (0.40) MAPTALDH1A1NPC1RAB9AENPP2
SCHEMBL5585684 0.88 PTGS2 (0.39) MAPTNPC1RAB9AENPP2MEN1
Sulfuric Acid SCHEMBL5585543 0.87 ENPP2 (0.41) MAPTALDH1A1NPC1RAB9AENPP2
SCHEMBL5585469 0.87 ENPP2 (0.41) MAPTALDH1A1NPC1RAB9AENPP2
Tromethamine SCHEMBL5585681 0.85 ENPP2 (0.38) MAPTALDH1A1NPC1RAB9AENPP2
SCHEMBL5585815 0.85 NPC1 (0.34) MAPTALDH1A1NPC1RAB9AL3MBTL1
SCHEMBL5585253 0.83 CA1 (0.41) MAPTALDH1A1NPC1RAB9AL3MBTL1

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7163952-B2 Azole compound and medicinal use thereof JAPAN TOBACCO INC. (JP) 2007-01-16 US disclosed
US-7163952-B2 Azole compound and medicinal use thereof JAPAN TOBACCO INC. (JP) 2007-01-16 US disclosed
US-20050065196-A1 Azole compound and medicinal use thereof JAPAN TOBACCO INC. (JP) 2005-03-24 US disclosed
EP-1452530-A1 AZOLE COMPOUND AND MEDICINAL USE THEREOF JAPAN TOBACCO INC. (JP) 2004-09-01 EP disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20050065196-A1 Azole compound and medicinal use thereof PTPN7, PTPN1, PTPN5 MAPT 4536/4885ALDH1A1 2229/4885NPC1 1217/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.